5-[(4-iodophenyl)amino]-2-nitro-benzoic acid

Systemtic Name: 5-[(4-iodophenyl)amino]-2-nitro-benzoic acid Openeye Name: 5-(4-iodoanilino)-2-nitro-benzoic acid CAS Name: 5-(4-iodoanilino)-2-nitrobenzoic acid IUPAC Name: 5-(4-iodoanilino)-2-nitrobenzoic acid Traditional Name: 5-(4-iodoanilino)-2-nitro-benzoic acid Formula: C13H9IN2O4 MolecularWeight: 384.12603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)I

Isomeric SMILES

C1=CC(=CC=C1NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)I

InChI

InChI=1S/C13H9IN2O4/c14-8-1-3-9(4-2-8)15-10-5-6-12(16(19)20)11(7-10)13(17)18/h1-7,15H,(H,17,18)